%chk=000216400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216400

0 1
O -2.344373 -0.886947 0.087254
O 2.027287 -2.035685 0.360722
O -3.306465 0.611653 -1.303698
O 3.742312 -1.247366 -0.867813
N 0.746287 1.322371 -2.725367
C 0.180384 -0.302509 -0.432148
C 0.269769 0.365141 0.961653
C -0.902283 0.350063 -1.271324
C 1.531726 -0.286105 -1.122519
C 0.656205 1.846051 0.914608
C -0.602685 1.164564 -2.319894
C 1.788673 0.541615 -2.174403
C 0.730858 2.451602 2.323362
C -2.292236 0.085069 -0.873752
C -3.635864 -1.349424 0.666904
C 2.559317 -1.176779 -0.581019
C -1.567780 1.935341 -3.152626
C 3.097509 0.718492 -2.863796
C 1.114886 3.929569 2.284818
C -4.305485 -0.168371 1.356281
C -3.124842 -2.399068 1.652897
C -4.480364 -1.949675 -0.448771
C 2.940039 -2.974186 1.010785
C 3.712897 -2.262528 2.102846
H -0.112164 -1.379787 -0.269758
H -0.708803 0.240916 1.468263
H 1.001505 -0.202021 1.571872
H 1.630108 1.963284 0.402041
H -0.076991 2.405380 0.302460
H 0.958034 1.957829 -3.490643
H 1.464442 1.890972 2.934816
H -0.243681 2.332266 2.835594
H -1.569192 1.614062 -4.202893
H -2.614989 1.800368 -2.791912
H -1.380611 3.017115 -3.119289
H 3.894140 0.093257 -2.396245
H 3.062609 0.417131 -3.919553
H 3.463574 1.752858 -2.809452
H 0.386916 4.519423 1.716745
H 2.094699 4.078388 1.817570
H 1.164379 4.352170 3.294233
H -4.611161 0.594805 0.621933
H -5.200285 -0.475686 1.905403
H -3.627195 0.323676 2.062429
H -2.442606 -1.954117 2.388254
H -2.557428 -3.184140 1.136661
H -3.949714 -2.872273 2.193329
H -3.924968 -2.710238 -1.009213
H -5.391078 -2.414659 -0.060051
H -4.784284 -1.176076 -1.172622
H 3.600445 -3.417903 0.244365
H 2.224790 -3.722054 1.398185
H 4.291603 -2.966369 2.710789
H 4.418497 -1.534815 1.673647
H 3.043838 -1.706847 2.771840


%chk=000216400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216400

0 1
O -2.424419 -0.915764 0.138947
O 2.101980 -2.098020 0.399759
O -3.339275 0.563487 -1.441204
O 3.754463 -1.345345 -1.071529
N 0.747502 1.388921 -2.553905
C 0.194036 -0.253803 -0.299108
C 0.323903 0.513590 1.063097
C -0.912753 0.348580 -1.175494
C 1.532781 -0.297423 -1.047704
C 0.727700 1.999873 0.958740
C -0.602256 1.214325 -2.210115
C 1.793416 0.582726 -2.084949
C 0.830781 2.681865 2.342857
C -2.326708 0.049055 -0.877120
C -3.778227 -1.425657 0.611171
C 2.574603 -1.242580 -0.621262
C -1.575433 1.985500 -3.075663
C 3.102204 0.748425 -2.826166
C 1.228185 4.171393 2.255067
C -4.578307 -0.259844 1.228323
C -3.373566 -2.457442 1.679358
C -4.519924 -2.096837 -0.563256
C 3.072932 -3.104866 0.910894
C 3.937477 -2.511899 2.028595
H -0.092817 -1.284943 -0.036521
H -0.649368 0.430985 1.586532
H 1.066023 -0.028922 1.681777
H 1.703614 2.087589 0.438669
H -0.013379 2.546852 0.340374
H 0.959463 2.045220 -3.306389
H 1.571279 2.136042 2.963040
H -0.142072 2.587164 2.867717
H -2.216791 1.299874 -3.655453
H -2.266742 2.583656 -2.461231
H -1.038872 2.652083 -3.777292
H 3.935820 0.921184 -2.127178
H 3.364421 -0.172888 -3.374214
H 3.047444 1.587866 -3.544775
H 0.486486 4.744954 1.667205
H 2.211154 4.290195 1.760823
H 1.295787 4.634344 3.257101
H -4.839571 0.486086 0.461903
H -5.508945 -0.650442 1.679923
H -3.990117 0.231959 2.023795
H -2.784758 -1.977213 2.480044
H -2.760834 -3.258970 1.231649
H -4.276085 -2.910887 2.127394
H -3.884574 -2.874227 -1.023842
H -5.439402 -2.581792 -0.186450
H -4.794807 -1.356412 -1.329884
H 3.698165 -3.455327 0.070784
H 2.431962 -3.923608 1.277285
H 4.589763 -3.296612 2.455854
H 4.579103 -1.705559 1.635860
H 3.307756 -2.106710 2.839964


